SCHEMBL5201293

SCHEMBL5201293

C=CCN(c1cc([N+](=O)[O-])ccc1Br)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.42
CYP19A1 P11511 11/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.37
C5AR1 P21730 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30204314 0.78 CYP19A1 (0.45) ALDH1A1CYP19A1L3MBTL1
SCHEMBL13748749 0.77 HTT (0.41) KMT2AMEN1LMNAPKMALDH1A1
SCHEMBL18331695 0.74 CYP19A1 (0.42) ALDH1A1MAPTCYP19A1
SCHEMBL7080073 0.70 PTPRC (0.41) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL8971685 0.69 HTT (0.46) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3203299 0.68 PTPRC (0.48) KMT2ALMNAALDH1A1
SCHEMBL6432066 0.68 ALDH1A1 (0.44) KMT2AMEN1LMNAPKMALDH1A1
SCHEMBL594453 0.67 ALDH1A1 (0.55) KMT2AMEN1LMNAPKMALDH1A1
SCHEMBL3050943 0.67 ALDH1A1 (0.50) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13012410 0.67 LSS (0.44) KMT2AMEN1LMNAALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed